General Information of the Compound
| Compound ID |
CP0474638
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| Compound Name |
(2S)-2-amino-4-[bis[(2-pyridin-2-yloxyphenyl)methyl]amino]butanoic acid
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| Structure |
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| Formula |
C28H28N4O4
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| Molecular Weight |
484.556
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| Canonical SMILES |
N[C@@H](CCN(Cc1ccccc1Oc1ccccn1)Cc1ccccc1Oc1ccccn1)C(O)=O
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| InChI |
InChI=1S/C28H28N4O4/c29-23(28(33)34)15-18-32(19-21-9-1-3-11-24(21)35-26-13-5-7-16-30-26)20-22-10-2-4-12-25(22)36-27-14-6-8-17-31-27/h1-14,16-17,23H,15,18-20,29H2,(H,33,34)/t23-/m0/s1
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| InChIKey |
OGKRGHHJBKQKQZ-QHCPKHFHSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00623, Amino acid transporter
Protein ID: PT03927, Neutral amino acid transporter B(0)